methyl 1-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(4-ethyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(4-ethyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]isonipecotic acid methyl ester Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCC(CC2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCC(CC2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C18H24N4O2S/c1-3-21-16(14-7-5-4-6-8-14)19-22(18(21)25)13-20-11-9-15(10-12-20)17(23)24-2/h4-8,15H,3,9-13H2,1-2H3